#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wks s LYS 2 N 0.00 4.16 -0.16 2.12 1.02 -1.26 -1.15 119.74 124.48 2wks s LYS 2 Ca 0.00 0.33 -0.04 0.00 0.02 0.00 0.00 55.97 56.28 2wks s LYS 2 Cb 0.00 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 2wks s LYS 2 CO 0.00 -0.15 -0.04 0.42 -0.92 0.00 0.00 175.35 174.66 2wks s ILE 3 N 1.65 3.81 -0.22 2.17 -1.09 -0.60 -0.70 121.20 126.21 2wks s ILE 3 Ca 0.22 -0.38 -0.17 0.00 -2.23 0.00 0.00 60.65 58.09 2wks s ILE 3 Cb -0.15 -2.67 -0.03 0.00 -1.58 0.00 0.00 42.46 38.02 2wks s ILE 3 CO 0.09 0.49 0.45 -0.22 -1.23 0.00 0.00 174.94 174.52 2wks s LEU 4 N 0.46 4.11 -0.31 2.97 2.96 -0.77 -1.26 118.68 126.84 2wks s LEU 4 Ca -0.04 0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 54.31 2wks s LEU 4 Cb -0.14 -2.59 -0.00 0.00 0.50 0.00 0.00 46.19 43.96 2wks s LEU 4 CO 0.03 -0.17 0.14 -0.69 -1.32 0.00 0.00 176.35 174.35 2wks s VAL 5 N 1.73 4.50 -0.19 1.68 1.01 0.23 -0.90 120.40 128.46 2wks s VAL 5 Ca 0.20 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 2wks s VAL 5 Cb -0.15 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2wks s VAL 5 CO 0.09 0.05 0.01 -0.63 0.00 0.00 0.00 175.10 174.63 2wks s ILE 6 N 1.59 4.17 -0.20 2.22 1.01 0.14 -0.91 121.20 129.22 2wks s ILE 6 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 2wks s ILE 6 Cb -0.17 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 39.43 2wks s ILE 6 CO 0.06 0.44 -0.13 -1.10 0.00 0.00 0.00 174.94 174.20 2wks s GLN 7 N 0.78 3.07 0.00 2.79 -1.52 0.91 -1.23 119.66 124.47 2wks s GLN 7 Ca 0.01 -0.80 0.00 0.00 -1.95 0.00 0.00 55.36 52.62 2wks s GLN 7 Cb -0.14 -2.77 0.00 0.00 -0.22 0.00 0.00 33.01 29.88 2wks s GLN 7 CO 0.02 -0.24 0.00 0.41 -0.25 0.00 0.00 175.29 175.23 2wks n GLY 8 N 4.68 -0.96 3.71 3.09 0.00 0.58 -1.58 105.19 114.70 2wks n GLY 8 Ca -0.19 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2wks n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wks n PRO 9 N -0.80 1.97 0.00 1.61 -0.04 -0.99 -2.79 135.00 133.96 2wks n PRO 9 Ca 0.00 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 2wks n PRO 9 Cb 0.00 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 2wks n PRO 9 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wks n ASN 10 N 0.16 0.00 0.25 3.54 3.02 -1.26 -4.59 115.26 116.37 2wks n ASN 10 Ca 0.06 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.74 2wks n ASN 10 Cb 0.40 -0.30 0.60 0.00 -0.61 0.00 0.00 39.78 39.87 2wks n ASN 10 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2wks h LEU 11 N 0.00 0.00 -0.59 3.41 3.38 -1.87 -0.94 115.31 118.69 2wks h LEU 11 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wks h LEU 11 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wks h LEU 11 CO 0.00 0.14 0.00 -0.46 0.09 0.00 0.00 178.44 178.21 2wks n ASN 12 N -3.35 0.45 -0.49 -0.43 6.94 -1.26 -2.08 115.26 115.04 2wks n ASN 12 Ca -0.00 0.63 0.14 0.00 -0.02 0.00 0.00 54.58 55.32 2wks n ASN 12 Cb 0.35 -0.72 0.47 0.00 -2.36 0.00 0.00 39.78 37.52 2wks n ASN 12 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2wks n MET 13 N -2.02 1.61 -1.64 -3.83 2.81 -0.36 -4.81 117.12 108.89 2wks n MET 13 Ca 0.02 -0.99 -0.42 0.00 -1.81 0.00 0.00 57.70 54.50 2wks n MET 13 Cb 0.17 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 2wks n MET 13 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2wks n LEU 14 N 0.17 2.82 0.00 4.03 4.77 -0.88 -3.56 117.00 124.35 2wks n LEU 14 Ca 0.18 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 2wks n LEU 14 Cb 0.38 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 2wks n LEU 14 CO 0.18 -1.16 0.00 0.61 -1.33 0.00 0.00 177.39 175.68 2wks n GLY 15 N 1.06 0.91 0.41 -0.72 0.00 -1.22 -4.36 105.19 101.27 2wks n GLY 15 Ca 0.08 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.31 2wks n GLY 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2wks h HIS 16 N 0.00 0.51 -0.02 1.61 3.86 -1.84 -0.44 115.15 118.84 2wks h HIS 16 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2wks h HIS 16 Cb 0.00 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.31 2wks h HIS 16 CO 0.00 0.12 -0.42 0.54 0.86 0.00 0.00 177.93 179.03 2wks n ARG 17 N -4.51 1.28 -4.35 2.45 5.12 -1.26 -5.00 116.66 110.40 2wks n ARG 17 Ca 0.21 -1.04 -0.37 0.00 -1.93 0.00 0.00 57.85 54.71 2wks n ARG 17 Cb 0.76 -1.48 -0.06 0.00 -1.16 0.00 0.00 32.46 30.52 2wks n ARG 17 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2wks n ASP 18 N 0.05 -1.68 -1.85 0.55 3.85 -0.17 -4.85 116.55 112.45 2wks n ASP 18 Ca 0.10 -1.15 -0.03 0.00 -0.71 0.00 0.00 54.79 53.00 2wks n ASP 18 Cb 0.47 -2.11 -0.04 0.00 -1.35 0.00 0.00 41.12 38.09 2wks n ASP 18 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 2wks n PRO 19 N -4.29 0.86 0.00 0.11 -0.02 -1.26 -4.82 135.00 125.59 2wks n PRO 19 Ca -0.01 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 2wks n PRO 19 Cb 0.53 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 2wks n PRO 19 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2wks n ARG 20 N 2.02 0.00 -0.14 -0.52 3.00 -1.26 -4.38 116.66 115.38 2wks n ARG 20 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.86 2wks n ARG 20 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 2wks n ARG 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2wks h LEU 21 N 0.00 0.52 0.00 6.15 4.07 -2.04 -3.26 115.31 120.75 2wks h LEU 21 Ca 0.00 -0.07 -0.20 0.00 0.08 0.00 0.00 57.88 57.69 2wks h LEU 21 Cb 0.00 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.57 2wks h LEU 21 CO 0.00 0.44 -1.74 -1.22 -1.08 0.00 0.00 178.44 174.83 2wks n TYR 22 N -4.73 0.63 0.00 1.13 4.02 -1.26 -4.91 117.16 112.03 2wks n TYR 22 Ca 0.01 0.21 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 2wks n TYR 22 Cb 0.06 -1.00 0.00 0.00 -0.02 0.00 0.00 39.34 38.38 2wks n TYR 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wks n GLY 23 N 1.47 0.28 0.00 2.72 0.00 -1.23 -4.80 105.19 103.63 2wks n GLY 23 Ca -0.15 -2.15 0.05 0.00 0.00 0.00 0.00 46.02 43.77 2wks n GLY 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wks n MET 24 N 0.00 2.23 -2.97 1.61 2.81 -1.26 -3.97 117.12 115.56 2wks n MET 24 Ca 0.00 -0.04 -0.40 0.00 -1.81 0.00 0.00 57.70 55.45 2wks n MET 24 Cb 0.00 -1.09 -0.05 0.00 -0.71 0.00 0.00 33.22 31.37 2wks n MET 24 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2wks s VAL 25 N -2.27 4.59 0.67 2.03 1.01 -1.26 -4.59 120.40 120.56 2wks s VAL 25 Ca 0.00 1.67 -0.07 0.00 0.00 0.00 0.00 61.98 63.59 2wks s VAL 25 Cb 0.07 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.36 2wks s VAL 25 CO 0.41 0.42 0.99 0.42 0.00 0.00 0.00 175.10 177.35 2wks s THR 26 N -0.47 2.90 0.20 3.92 -4.23 -1.26 -3.39 115.64 113.30 2wks s THR 26 Ca 0.38 -0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.73 2wks s THR 26 Cb -0.22 -3.22 0.12 0.00 1.34 0.00 0.00 72.50 70.52 2wks s THR 26 CO 0.24 -0.24 1.71 0.25 -0.54 0.00 0.00 174.62 176.05 2wks h LEU 27 N -0.47 1.08 -0.70 4.79 5.85 -1.80 -1.22 115.31 122.84 2wks h LEU 27 Ca -0.45 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.06 2wks h LEU 27 Cb 1.29 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 2wks h LEU 27 CO 0.61 1.04 0.45 0.44 -0.34 0.00 0.00 178.44 180.64 2wks h ASP 28 N 1.08 0.76 -0.20 1.25 3.32 -1.95 -1.21 116.42 119.47 2wks h ASP 28 Ca 0.22 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 2wks h ASP 28 Cb 0.39 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2wks h ASP 28 CO 0.00 0.53 0.02 1.56 -1.72 0.00 0.00 179.24 179.63 2wks h GLN 29 N 0.90 0.45 -0.42 3.56 4.20 -1.81 0.22 115.11 122.21 2wks h GLN 29 Ca 0.27 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 2wks h GLN 29 Cb -0.03 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2wks h GLN 29 CO -0.09 0.47 -0.01 0.82 -0.67 0.00 0.00 178.83 179.35 2wks h ILE 30 N 0.44 1.26 -0.32 2.54 2.04 -0.42 -1.62 117.51 121.43 2wks h ILE 30 Ca 0.10 -1.04 -0.10 0.00 1.00 0.00 0.00 64.86 64.82 2wks h ILE 30 Cb 0.27 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2wks h ILE 30 CO 0.01 0.35 -0.22 0.45 0.00 0.00 0.00 178.15 178.74 2wks h HIS 31 N 0.58 0.70 -0.07 1.37 3.86 -0.14 -1.65 115.15 119.80 2wks h HIS 31 Ca 0.12 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2wks h HIS 31 Cb 0.50 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 2wks h HIS 31 CO 0.04 0.80 0.04 0.93 0.86 0.00 0.00 177.93 180.59 2wks h GLU 32 N 0.55 0.10 -0.98 2.45 5.08 -0.50 -2.30 114.58 118.99 2wks h GLU 32 Ca 0.08 -0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.64 2wks h GLU 32 Cb 0.68 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.82 2wks h GLU 32 CO 0.05 0.15 0.62 0.82 -1.00 0.00 0.00 179.01 179.65 2wks h ILE 33 N 0.03 0.65 -0.02 3.13 2.04 -1.04 0.70 117.51 123.01 2wks h ILE 33 Ca 0.03 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 2wks h ILE 33 Cb 0.07 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.22 2wks h ILE 33 CO -0.00 0.10 -0.00 0.24 0.00 0.00 0.00 178.15 178.48 2wks h MET 34 N 0.53 0.03 -0.03 2.37 2.86 -1.01 -1.63 114.93 118.05 2wks h MET 34 Ca 0.54 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 58.20 2wks h MET 34 Cb 1.16 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.78 2wks h MET 34 CO -0.28 0.36 -0.16 1.96 1.06 0.00 0.00 176.91 179.86 2wks h GLN 35 N -0.30 -0.24 -0.61 1.72 1.08 -0.72 -0.74 115.11 115.30 2wks h GLN 35 Ca 0.00 0.02 0.13 0.00 -1.45 0.00 0.00 58.65 57.35 2wks h GLN 35 Cb 0.35 0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 27.72 2wks h GLN 35 CO 0.00 -0.16 -0.08 1.15 -0.95 0.00 0.00 178.83 178.80 2wks h THR 36 N -0.24 0.43 -0.83 -0.54 2.02 -0.94 0.19 112.91 113.00 2wks h THR 36 Ca 0.06 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2wks h THR 36 Cb 0.33 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2wks h THR 36 CO -0.17 0.01 0.54 0.15 0.37 0.00 0.00 175.52 176.41 2wks h PHE 37 N 0.05 1.06 -0.47 3.16 3.57 -0.47 -0.47 116.94 123.37 2wks h PHE 37 Ca 0.31 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.74 2wks h PHE 37 Cb 0.49 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2wks h PHE 37 CO -0.43 0.68 -0.06 0.28 -2.23 0.00 0.00 178.31 176.55 2wks h VAL 38 N 1.14 1.27 0.44 1.41 2.07 0.73 -2.97 116.25 120.33 2wks h VAL 38 Ca 0.30 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 2wks h VAL 38 Cb -0.10 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2wks h VAL 38 CO -0.06 0.40 -0.21 0.11 0.02 0.00 0.00 177.57 177.83 2wks h LYS 39 N 0.72 -0.57 0.00 1.57 1.57 -0.82 -1.75 116.57 117.29 2wks h LYS 39 Ca 0.13 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2wks h LYS 39 Cb 0.59 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2wks h LYS 39 CO 0.04 -0.30 0.00 1.04 -0.57 0.00 0.00 179.45 179.66 2wks n GLN 40 N -5.18 0.00 0.00 3.15 1.13 -0.20 0.10 117.38 116.38 2wks n GLN 40 Ca -0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 2wks n GLN 40 Cb 0.27 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.21 2wks n GLN 40 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wks n GLY 41 N -0.79 0.07 2.38 1.08 0.00 -1.12 -5.00 105.19 101.81 2wks n GLY 41 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2wks n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wks n ASN 42 N -0.07 -4.85 -4.76 1.61 3.02 0.29 -4.93 115.26 105.57 2wks n ASN 42 Ca 0.00 0.31 -0.38 0.00 -0.03 0.00 0.00 54.58 54.48 2wks n ASN 42 Cb 0.12 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.05 2wks n ASN 42 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wks s LEU 43 N -4.89 4.02 -1.24 3.41 1.43 -0.69 -4.90 118.68 115.82 2wks s LEU 43 Ca 0.00 2.51 -0.06 0.00 -1.03 0.00 0.00 54.13 55.54 2wks s LEU 43 Cb 0.00 -4.16 0.19 0.00 0.03 0.00 0.00 46.19 42.24 2wks s LEU 43 CO 0.00 -1.06 1.99 -0.67 0.23 0.00 0.00 176.35 176.83 2wks n ASP 44 N -0.46 6.49 -3.79 2.29 2.03 -1.26 -4.80 116.55 117.04 2wks n ASP 44 Ca 0.07 -3.22 -0.21 0.00 0.52 0.00 0.00 54.79 51.95 2wks n ASP 44 Cb 0.46 -1.38 -0.17 0.00 -0.72 0.00 0.00 41.12 39.31 2wks n ASP 44 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2wks s VAL 45 N -1.03 0.30 -0.21 5.18 1.01 -1.26 -3.73 120.40 120.66 2wks s VAL 45 Ca 0.43 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.44 2wks s VAL 45 Cb 0.13 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 2wks s VAL 45 CO -0.02 0.22 0.07 -1.61 0.00 0.00 0.00 175.10 173.76 2wks s GLU 46 N 1.60 3.89 -0.09 2.72 2.02 -0.30 -5.00 118.70 123.53 2wks s GLU 46 Ca -0.01 -0.38 -0.13 0.00 0.02 0.00 0.00 54.97 54.47 2wks s GLU 46 Cb -0.13 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.78 2wks s GLU 46 CO -0.03 0.12 0.31 -0.51 0.02 0.00 0.00 175.26 175.17 2wks s LEU 47 N 0.80 4.35 -0.17 1.80 1.43 -1.26 -1.56 118.68 124.07 2wks s LEU 47 Ca 0.04 0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 53.78 2wks s LEU 47 Cb -0.13 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 2wks s LEU 47 CO 0.02 0.23 -0.06 -0.70 0.23 0.00 0.00 176.35 176.07 2wks s GLU 48 N -0.35 3.49 -0.08 1.70 2.12 -0.39 -4.96 118.70 120.24 2wks s GLU 48 Ca 0.19 -0.60 -0.05 0.00 0.36 0.00 0.00 54.97 54.88 2wks s GLU 48 Cb -0.14 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 2wks s GLU 48 CO 0.07 0.07 0.12 -0.06 -0.54 0.00 0.00 175.26 174.93 2wks s PHE 49 N 0.78 3.49 -0.13 5.30 0.08 -1.26 -0.60 117.98 125.63 2wks s PHE 49 Ca -0.02 0.41 -0.07 0.00 0.12 0.00 0.00 56.93 57.36 2wks s PHE 49 Cb -0.15 -1.87 0.05 0.00 -0.57 0.00 0.00 43.02 40.48 2wks s PHE 49 CO 0.02 0.66 0.32 0.12 -0.10 0.00 0.00 175.22 176.24 2wks s PHE 50 N -1.08 -0.45 -0.02 0.36 5.36 -0.09 -4.95 117.98 117.11 2wks s PHE 50 Ca 0.18 1.00 0.04 0.00 -0.96 0.00 0.00 56.93 57.19 2wks s PHE 50 Cb -0.12 0.15 -0.01 0.00 -0.34 0.00 0.00 43.02 42.70 2wks s PHE 50 CO 0.07 -0.27 -0.14 -1.14 -1.46 0.00 0.00 175.22 172.28 2wks s GLN 51 N 1.22 1.28 0.12 10.12 -0.44 -1.26 -0.06 119.66 130.63 2wks s GLN 51 Ca -0.09 -0.49 -0.15 0.00 -2.50 0.00 0.00 55.36 52.13 2wks s GLN 51 Cb -0.09 -1.18 0.03 0.00 -1.64 0.00 0.00 33.01 30.13 2wks s GLN 51 CO -0.09 0.25 0.37 -0.08 0.50 0.00 0.00 175.29 176.24 2wks s THR 52 N -0.12 0.08 -1.90 -0.34 -1.32 -0.62 -4.97 115.64 106.45 2wks s THR 52 Ca 0.01 -0.65 0.16 0.00 -1.21 0.00 0.00 61.69 60.00 2wks s THR 52 Cb -0.08 -1.18 0.18 0.00 -1.51 0.00 0.00 72.50 69.91 2wks s THR 52 CO 0.00 -0.36 1.07 0.59 -2.21 0.00 0.00 174.62 173.71 2wks n ASN 53 N -0.18 2.50 -4.63 8.08 3.02 -1.26 -2.34 115.26 120.45 2wks n ASN 53 Ca -0.16 -1.72 -0.37 0.00 -0.03 0.00 0.00 54.58 52.29 2wks n ASN 53 Cb 0.63 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.65 2wks n ASN 53 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wks s PHE 54 N -1.29 3.27 0.22 3.10 0.40 -1.26 -4.75 117.98 117.68 2wks s PHE 54 Ca 0.21 0.20 -0.10 0.00 -0.60 0.00 0.00 56.93 56.64 2wks s PHE 54 Cb 0.14 -2.34 0.32 0.00 0.51 0.00 0.00 43.02 41.65 2wks s PHE 54 CO 0.21 -0.05 1.66 1.49 0.70 0.00 0.00 175.22 179.23 2wks h GLU 55 N 7.90 0.12 -0.71 0.44 4.81 -2.00 -1.96 114.58 123.18 2wks h GLU 55 Ca -0.36 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.87 2wks h GLU 55 Cb 1.18 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 2wks h GLU 55 CO 0.61 0.08 0.47 0.78 -0.73 0.00 0.00 179.01 180.22 2wks h GLY 56 N 0.12 1.00 1.23 1.92 0.00 -1.99 -1.64 103.07 103.70 2wks h GLY 56 Ca 0.34 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 47.13 2wks h GLY 56 CO -0.55 0.35 -0.47 0.83 0.00 0.00 0.00 176.54 176.70 2wks h GLU 57 N 0.95 0.83 -0.58 4.80 5.08 -1.79 -0.66 114.58 123.21 2wks h GLU 57 Ca 0.27 -0.48 0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2wks h GLU 57 Cb -0.08 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 2wks h GLU 57 CO -0.06 1.11 0.33 0.82 -1.00 0.00 0.00 179.01 180.22 2wks h ILE 58 N 0.66 1.02 -0.08 3.13 2.04 -0.82 -0.54 117.51 122.91 2wks h ILE 58 Ca 0.03 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2wks h ILE 58 Cb 1.06 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2wks h ILE 58 CO 0.11 0.12 0.02 0.40 0.00 0.00 0.00 178.15 178.80 2wks h ILE 59 N 0.65 1.18 -0.58 -0.67 2.04 -1.21 -1.51 117.51 117.41 2wks h ILE 59 Ca 0.24 -0.55 0.12 0.00 1.00 0.00 0.00 64.86 65.67 2wks h ILE 59 Cb 0.08 1.39 -0.10 0.00 -0.74 0.00 0.00 36.82 37.45 2wks h ILE 59 CO -0.13 0.16 -0.01 0.44 0.00 0.00 0.00 178.15 178.61 2wks h ASP 60 N -0.06 -0.28 -0.33 1.72 3.32 -0.89 -0.74 116.42 119.16 2wks h ASP 60 Ca 0.03 0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 2wks h ASP 60 Cb 0.23 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2wks h ASP 60 CO -0.00 -0.11 -0.23 0.50 -1.72 0.00 0.00 179.24 177.68 2wks h LYS 61 N 0.11 0.74 -0.54 3.56 1.63 -0.87 0.35 116.57 121.54 2wks h LYS 61 Ca 0.30 -0.35 0.07 0.00 -0.85 0.00 0.00 60.65 59.82 2wks h LYS 61 Cb 0.48 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.04 2wks h LYS 61 CO -0.51 0.97 0.21 0.82 -3.45 0.00 0.00 179.45 177.49 2wks h ILE 62 N 0.51 0.84 -0.55 2.00 2.04 -0.79 -2.02 117.51 119.54 2wks h ILE 62 Ca 0.07 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2wks h ILE 62 Cb 0.78 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2wks h ILE 62 CO 0.06 0.07 0.29 1.56 0.00 0.00 0.00 178.15 180.13 2wks h GLN 63 N 0.41 0.78 0.00 2.37 4.20 -0.65 -2.52 115.11 119.69 2wks h GLN 63 Ca 0.26 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2wks h GLN 63 Cb 0.27 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2wks h GLN 63 CO -0.24 0.62 0.00 0.93 -0.67 0.00 0.00 178.83 179.46 2wks h GLU 64 N 0.74 0.00 0.00 1.46 5.08 -0.57 -0.47 114.58 120.83 2wks h GLU 64 Ca 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2wks h GLU 64 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2wks h GLU 64 CO -0.03 0.00 -0.04 0.66 -1.00 0.00 0.00 179.01 178.61 2wks h SER 65 N 0.00 0.00 0.49 1.42 4.64 -0.91 -3.37 113.55 115.82 2wks h SER 65 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2wks h SER 65 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2wks h SER 65 CO 0.00 0.04 -0.24 0.58 -0.87 0.00 0.00 176.83 176.34 2wks h VAL 66 N 0.00 0.00 -0.01 0.95 2.07 -1.12 -2.87 116.25 115.27 2wks h VAL 66 Ca -0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2wks h VAL 66 Cb 0.61 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2wks h VAL 66 CO 0.00 0.00 0.02 1.23 0.02 0.00 0.00 177.57 178.85 2wks h GLY 67 N -0.79 0.00 -0.78 2.17 0.00 -1.76 -3.46 103.07 98.46 2wks h GLY 67 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.93 2wks h GLY 67 CO 0.11 0.00 0.23 -1.14 0.00 0.00 0.00 176.54 175.74 2wks n SER 68 N -3.47 0.42 -1.79 0.19 3.41 -1.08 -4.95 113.62 106.34 2wks n SER 68 Ca -0.03 -1.54 -0.15 0.00 -0.26 0.00 0.00 58.87 56.89 2wks n SER 68 Cb 0.10 -0.66 0.06 0.00 -0.26 0.00 0.00 64.21 63.45 2wks n SER 68 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2wks n ASP 69 N -3.39 5.11 -4.66 4.04 5.75 -1.26 -4.88 116.55 117.27 2wks n ASP 69 Ca 0.12 -2.99 -0.39 0.00 -0.01 0.00 0.00 54.79 51.53 2wks n ASP 69 Cb 0.44 -0.88 -0.07 0.00 -1.03 0.00 0.00 41.12 39.58 2wks n ASP 69 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2wks s TYR 70 N -1.85 3.36 0.01 2.11 4.12 -1.26 -4.11 117.35 119.74 2wks s TYR 70 Ca 0.32 0.75 0.07 0.00 0.02 0.00 0.00 57.07 58.23 2wks s TYR 70 Cb 0.26 -2.67 -0.23 0.00 -1.52 0.00 0.00 41.96 37.79 2wks s TYR 70 CO 0.02 -0.12 0.88 0.93 0.02 0.00 0.00 175.55 177.28 2wks h GLU 71 N 7.52 0.06 -2.53 -0.62 4.39 -1.25 -3.48 114.58 118.67 2wks h GLU 71 Ca -0.33 -0.10 0.12 0.00 0.34 0.00 0.00 59.36 59.39 2wks h GLU 71 Cb 1.15 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.74 2wks h GLU 71 CO 0.74 0.79 0.41 0.20 -1.16 0.00 0.00 179.01 179.98 2wks s GLY 72 N -4.98 -0.32 -0.06 -3.84 0.00 -1.24 -4.25 107.32 92.63 2wks s GLY 72 Ca -0.04 0.32 0.04 0.00 0.00 0.00 0.00 44.72 45.03 2wks s GLY 72 CO 0.83 0.09 -0.19 -0.42 0.00 0.00 0.00 173.10 173.41 2wks s ILE 73 N -3.41 1.59 -0.18 0.90 1.01 0.26 -1.85 121.20 119.51 2wks s ILE 73 Ca 0.09 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 2wks s ILE 73 Cb -0.02 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 2wks s ILE 73 CO -0.02 0.45 0.02 -0.63 0.00 0.00 0.00 174.94 174.77 2wks s ILE 74 N 0.25 4.33 -0.01 2.92 1.01 -0.07 -0.65 121.20 128.97 2wks s ILE 74 Ca -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.35 2wks s ILE 74 Cb -0.14 -2.94 0.02 0.00 0.01 0.00 0.00 42.46 39.40 2wks s ILE 74 CO 0.04 0.46 0.01 -0.51 0.00 0.00 0.00 174.94 174.95 2wks s ILE 75 N 0.52 -0.01 -0.38 2.92 2.07 0.47 -0.68 121.20 126.11 2wks s ILE 75 Ca 0.00 0.11 0.04 0.00 -1.41 0.00 0.00 60.65 59.39 2wks s ILE 75 Cb -0.13 -0.07 0.11 0.00 0.13 0.00 0.00 42.46 42.50 2wks s ILE 75 CO 0.02 0.05 0.10 0.21 -1.91 0.00 0.00 174.94 173.41 2wks s ASN 76 N 0.58 4.67 0.00 4.50 3.84 -0.36 -0.21 114.94 127.94 2wks s ASN 76 Ca -0.05 -2.34 0.21 0.00 0.21 0.00 0.00 52.86 50.89 2wks s ASN 76 Cb -0.07 -1.63 1.18 0.00 -0.55 0.00 0.00 41.25 40.18 2wks s ASN 76 CO -0.02 -0.35 1.64 -2.65 -2.79 0.00 0.00 177.10 172.94 2wks n PRO 77 N 4.01 0.53 0.00 0.43 -0.02 -1.26 -0.31 135.00 138.38 2wks n PRO 77 Ca 0.04 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2wks n PRO 77 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 2wks n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wks n GLY 78 N 0.36 2.39 0.16 -1.23 0.00 -1.26 -2.00 105.19 103.61 2wks n GLY 78 Ca 0.14 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.93 2wks n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wks n ALA 79 N 7.60 1.11 0.46 4.61 0.00 -1.26 -1.00 120.51 132.03 2wks n ALA 79 Ca 0.00 0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.76 2wks n ALA 79 Cb 0.00 -1.33 0.47 0.00 0.00 0.00 0.00 19.45 18.58 2wks n ALA 79 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2wks h PHE 80 N 0.00 0.00 -0.40 0.00 0.04 -1.80 -3.17 116.94 111.62 2wks h PHE 80 Ca 0.00 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.81 2wks h PHE 80 Cb 0.04 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 2wks h PHE 80 CO 0.00 0.00 0.27 0.77 -0.60 0.00 0.00 178.31 178.75 2wks h SER 81 N 0.00 0.31 0.79 2.17 0.02 -1.19 0.13 113.55 115.78 2wks h SER 81 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wks h SER 81 Cb 0.53 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2wks h SER 81 CO 0.00 0.21 -0.96 1.41 -1.14 0.00 0.00 176.83 176.35 2wks n HIS 82 N -4.48 0.67 0.00 3.45 8.25 -1.20 -0.64 115.22 121.27 2wks n HIS 82 Ca 0.04 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 2wks n HIS 82 Cb 0.20 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.56 2wks n HIS 82 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wks n THR 83 N -2.36 0.00 -3.12 1.59 -2.24 -0.87 -4.63 114.28 102.65 2wks n THR 83 Ca 0.01 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.34 2wks n THR 83 Cb 0.50 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 2wks n THR 83 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wks s SER 84 N -2.56 6.82 0.28 3.42 0.15 -0.02 -4.81 113.70 116.98 2wks s SER 84 Ca 0.00 -2.59 -0.02 0.00 0.70 0.00 0.00 55.95 54.04 2wks s SER 84 Cb 0.00 -2.31 0.44 0.00 -1.71 0.00 0.00 66.02 62.44 2wks s SER 84 CO 0.00 -0.75 1.91 0.40 1.20 0.00 0.00 173.24 175.99 2wks h ILE 85 N 5.04 1.11 -0.38 6.45 2.04 -1.94 -2.01 117.51 127.82 2wks h ILE 85 Ca 0.16 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.70 2wks h ILE 85 Cb 0.99 -0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 2wks h ILE 85 CO 0.99 0.21 0.04 0.00 0.00 0.00 0.00 178.15 179.38 2wks h ALA 86 N 1.47 0.38 -0.36 1.87 0.00 -1.98 0.20 119.26 120.83 2wks h ALA 86 Ca 0.40 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.30 2wks h ALA 86 Cb 0.12 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2wks h ALA 86 CO -0.14 -0.36 -0.19 0.82 0.00 0.00 0.00 179.25 179.37 2wks h ILE 87 N 0.15 1.26 -0.49 0.00 2.04 -1.87 -1.33 117.51 117.27 2wks h ILE 87 Ca 0.19 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.81 2wks h ILE 87 Cb 0.24 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2wks h ILE 87 CO -0.28 0.42 0.29 0.00 0.00 0.00 0.00 178.15 178.58 2wks h ALA 88 N 1.18 0.62 -0.15 1.87 0.00 -0.47 0.85 119.26 123.17 2wks h ALA 88 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wks h ALA 88 Cb 0.66 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2wks h ALA 88 CO 0.05 -0.01 0.09 -0.44 0.00 0.00 0.00 179.25 178.93 2wks h ASP 89 N 0.58 0.18 -0.70 0.00 3.32 -0.31 -1.42 116.42 118.07 2wks h ASP 89 Ca 0.19 -0.05 0.13 0.00 0.02 0.00 0.00 57.03 57.32 2wks h ASP 89 Cb 0.01 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.43 2wks h ASP 89 CO -0.09 0.18 0.25 0.00 -1.72 0.00 0.00 179.24 177.86 2wks h ALA 90 N 1.00 0.95 -0.77 3.45 0.00 -0.73 -0.71 119.26 122.45 2wks h ALA 90 Ca 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2wks h ALA 90 Cb 0.04 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2wks h ALA 90 CO -0.01 -0.23 0.44 0.82 0.00 0.00 0.00 179.25 180.27 2wks h ILE 91 N 0.39 1.23 0.00 0.00 2.04 -0.31 -2.23 117.51 118.63 2wks h ILE 91 Ca 0.38 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 2wks h ILE 91 Cb 0.57 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2wks h ILE 91 CO -0.40 0.24 -0.21 0.24 0.00 0.00 0.00 178.15 178.03 2wks h MET 92 N 1.06 0.00 -0.41 2.37 2.86 -0.10 -2.34 114.93 118.37 2wks h MET 92 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2wks h MET 92 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2wks h MET 92 CO -0.05 0.21 0.00 1.47 1.06 0.00 0.00 176.91 179.60 2wks n LEU 93 N -4.24 2.79 0.21 1.22 -0.00 -0.49 -4.28 117.00 112.21 2wks n LEU 93 Ca -0.02 -1.29 0.15 0.00 -0.00 0.00 0.00 56.01 54.85 2wks n LEU 93 Cb 0.27 -0.27 0.61 0.00 -0.00 0.00 0.00 43.42 44.03 2wks n LEU 93 CO 0.36 0.64 0.93 0.00 -0.00 0.00 0.00 177.39 179.33 2wks h ALA 94 N 4.17 1.00 -6.98 1.47 0.00 -0.91 -3.47 119.26 114.55 2wks h ALA 94 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2wks h ALA 94 Cb 0.75 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.30 2wks h ALA 94 CO 0.00 0.00 -0.91 0.41 0.00 0.00 0.00 179.25 178.75 2wks n GLY 95 N 0.00 -0.28 3.47 0.00 0.00 -1.26 -4.80 105.19 102.32 2wks n GLY 95 Ca 0.01 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 2wks n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wks s LYS 96 N -7.14 1.03 0.17 1.61 -2.85 -1.26 -5.12 119.74 106.19 2wks s LYS 96 Ca 0.39 -0.37 -0.32 0.00 -1.00 0.00 0.00 55.97 54.67 2wks s LYS 96 Cb -0.22 0.48 -0.12 0.00 -2.06 0.00 0.00 37.83 35.91 2wks s LYS 96 CO 0.98 -0.45 1.77 -2.30 0.10 0.00 0.00 175.35 175.45 2wks n PRO 97 N -0.29 2.77 -5.10 1.78 -0.02 -1.26 -4.84 135.00 128.03 2wks n PRO 97 Ca -0.13 1.00 -0.32 0.00 -2.02 0.00 0.00 63.50 62.04 2wks n PRO 97 Cb 0.63 -2.86 -0.17 0.00 -0.02 0.00 0.00 33.50 31.08 2wks n PRO 97 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wks s VAL 98 N 1.77 2.03 -0.14 -1.45 1.01 -1.26 -0.57 120.40 121.78 2wks s VAL 98 Ca 0.78 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2wks s VAL 98 Cb -0.50 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 2wks s VAL 98 CO 0.34 0.55 -0.16 -0.63 0.00 0.00 0.00 175.10 175.20 2wks s ILE 99 N 0.43 2.63 -0.10 2.22 1.01 0.18 -1.78 121.20 125.79 2wks s ILE 99 Ca -0.17 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 2wks s ILE 99 Cb -0.17 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 2wks s ILE 99 CO 0.07 0.53 0.41 -0.70 0.00 0.00 0.00 174.94 175.25 2wks s GLU 100 N 0.62 4.23 -0.03 2.79 2.12 -0.64 -0.40 118.70 127.38 2wks s GLU 100 Ca -0.09 0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.66 2wks s GLU 100 Cb -0.16 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 2wks s GLU 100 CO 0.03 0.29 -0.25 0.08 -0.54 0.00 0.00 175.26 174.87 2wks s VAL 101 N 0.22 2.00 -0.04 3.70 1.01 0.70 -0.42 120.40 127.56 2wks s VAL 101 Ca 0.23 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.18 2wks s VAL 101 Cb -0.15 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2wks s VAL 101 CO 0.09 0.56 -0.14 -1.00 0.00 0.00 0.00 175.10 174.62 2wks s HIS 102 N -0.44 1.43 0.09 5.22 3.76 0.95 -4.14 115.29 122.17 2wks s HIS 102 Ca 0.05 -0.43 -0.31 0.00 -0.15 0.00 0.00 55.06 54.22 2wks s HIS 102 Cb -0.11 -1.00 -0.13 0.00 1.11 0.00 0.00 32.58 32.44 2wks s HIS 102 CO 0.01 -0.18 1.61 -0.07 -0.85 0.00 0.00 174.74 175.26 2wks h LEU 103 N 6.50 -0.93-10.32 0.89 3.38 -1.86 -1.55 115.31 111.41 2wks h LEU 103 Ca -0.32 0.08 -0.48 0.00 0.09 0.00 0.00 57.88 57.25 2wks h LEU 103 Cb 1.18 0.31 0.03 0.00 0.09 0.00 0.00 40.66 42.27 2wks h LEU 103 CO 0.48 -0.49 0.03 0.42 0.09 0.00 0.00 178.44 178.97 2wks s THR 104 N -6.01 4.59 -0.91 0.22 -4.23 -1.26 -1.63 115.64 106.41 2wks s THR 104 Ca -0.17 -0.08 -0.24 0.00 -1.18 0.00 0.00 61.69 60.02 2wks s THR 104 Cb 0.06 -3.73 0.03 0.00 1.34 0.00 0.00 72.50 70.20 2wks s THR 104 CO 0.63 -0.64 1.49 0.21 -0.54 0.00 0.00 174.62 175.77 2wks s ASN 105 N -4.14 6.18 0.15 3.99 3.84 -1.26 -2.52 114.94 121.17 2wks s ASN 105 Ca 0.47 -1.00 0.18 0.00 0.21 0.00 0.00 52.86 52.72 2wks s ASN 105 Cb -0.10 -2.56 0.78 0.00 -0.55 0.00 0.00 41.25 38.82 2wks s ASN 105 CO 0.42 -1.79 1.55 2.30 -2.79 0.00 0.00 177.10 176.79 2wks n ILE 106 N 6.89 1.01 0.16 -5.21 -5.35 -1.26 -0.13 119.36 115.48 2wks n ILE 106 Ca 0.25 0.31 0.04 0.00 -0.27 0.00 0.00 62.75 63.08 2wks n ILE 106 Cb 0.50 -1.18 0.44 0.00 -1.74 0.00 0.00 39.64 37.66 2wks n ILE 106 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2wks h GLN 107 N 0.00 0.14 -0.57 6.28 1.08 -1.87 -3.27 115.11 116.90 2wks h GLN 107 Ca 0.00 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2wks h GLN 107 Cb 0.26 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2wks h GLN 107 CO 0.00 0.29 0.01 0.00 -0.95 0.00 0.00 178.83 178.17 2wks n ALA 108 N -2.50 3.89 -3.35 3.87 0.00 0.81 -4.94 120.51 118.30 2wks n ALA 108 Ca -0.01 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.46 2wks n ALA 108 Cb 0.25 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2wks n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wks n ARG 109 N 0.55 2.69 -1.17 0.00 1.74 -1.23 -5.05 116.66 114.18 2wks n ARG 109 Ca 0.28 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.00 2wks n ARG 109 Cb 1.20 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.70 2wks n ARG 109 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2wks n GLU 110 N -0.11 0.16 -0.23 5.56 4.71 -1.26 -4.84 120.64 124.63 2wks n GLU 110 Ca 0.00 0.09 0.01 0.00 -0.01 0.00 0.00 57.16 57.25 2wks n GLU 110 Cb 0.00 -1.63 0.13 0.00 -1.01 0.00 0.00 31.44 28.93 2wks n GLU 110 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2wks h GLU 111 N -0.53 0.53 0.00 3.49 4.57 -1.97 -2.00 114.58 118.67 2wks h GLU 111 Ca -0.44 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2wks h GLU 111 Cb 1.35 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 2wks h GLU 111 CO 0.39 0.35 0.00 1.97 -1.18 0.00 0.00 179.01 180.54 2wks n PHE 112 N -4.90 0.08 0.85 0.92 1.16 -1.26 -2.07 117.46 112.23 2wks n PHE 112 Ca 0.10 0.04 0.10 0.00 -1.87 0.00 0.00 57.45 55.81 2wks n PHE 112 Cb 0.28 -0.56 -0.12 0.00 -1.61 0.00 0.00 39.48 37.47 2wks n PHE 112 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2wks n ARG 113 N -1.57 0.42 -0.07 3.97 1.74 -0.76 -4.61 116.66 115.78 2wks n ARG 113 Ca 0.01 -0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 2wks n ARG 113 Cb 0.08 -1.45 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 2wks n ARG 113 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wks h LYS 114 N 0.00 0.56 -6.72 5.56 1.57 -1.42 -3.44 116.57 112.68 2wks h LYS 114 Ca 0.00 -0.32 -0.53 0.00 -1.87 0.00 0.00 60.65 57.93 2wks h LYS 114 Cb 0.52 0.03 0.07 0.00 0.08 0.00 0.00 32.23 32.92 2wks h LYS 114 CO 0.00 0.92 0.93 1.21 -0.57 0.00 0.00 179.45 181.94 2wks s ASN 115 N -6.44 6.42 -0.35 0.86 2.47 -1.26 -4.81 114.94 111.82 2wks s ASN 115 Ca -0.13 2.86 0.00 0.00 0.42 0.00 0.00 52.86 56.02 2wks s ASN 115 Cb 0.07 -2.62 0.11 0.00 -1.45 0.00 0.00 41.25 37.37 2wks s ASN 115 CO 0.80 -0.91 0.14 -0.55 -3.72 0.00 0.00 177.10 172.87 2wks s SER 116 N 0.82 3.92 0.15 -4.21 0.15 -1.26 -4.15 113.70 109.12 2wks s SER 116 Ca 0.68 -2.00 -0.19 0.00 0.70 0.00 0.00 55.95 55.14 2wks s SER 116 Cb -0.48 -0.95 0.04 0.00 -1.71 0.00 0.00 66.02 62.92 2wks s SER 116 CO 0.40 -0.36 1.68 1.88 1.20 0.00 0.00 173.24 178.03 2wks h TYR 117 N 7.59 -0.21 -0.85 3.44 0.05 -1.14 -1.65 116.97 124.21 2wks h TYR 117 Ca -0.08 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 2wks h TYR 117 Cb 0.99 0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.82 2wks h TYR 117 CO 0.41 -0.15 0.45 1.79 -1.05 0.00 0.00 178.16 179.61 2wks h THR 118 N -0.03 1.25 -0.27 -2.88 1.35 -1.79 -2.48 112.91 108.07 2wks h THR 118 Ca 0.15 -0.64 -0.05 0.00 -0.55 0.00 0.00 66.41 65.32 2wks h THR 118 Cb 0.25 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 66.78 2wks h THR 118 CO -0.32 0.29 -0.03 1.23 -0.25 0.00 0.00 175.52 176.43 2wks h GLY 119 N 1.19 0.44 1.93 5.82 0.00 -1.69 -1.89 103.07 108.87 2wks h GLY 119 Ca 0.30 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 2wks h GLY 119 CO -0.05 0.24 -0.45 0.00 0.00 0.00 0.00 176.54 176.29 2wks h ALA 120 N 1.58 1.20 0.00 3.60 0.00 -0.86 -2.71 119.26 122.07 2wks h ALA 120 Ca 0.09 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2wks h ALA 120 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wks h ALA 120 CO 0.01 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.84 2wks h ALA 121 N 1.49 1.00 -2.33 0.00 0.00 -1.16 -3.46 119.26 114.80 2wks h ALA 121 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 2wks h ALA 121 Cb 0.82 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.66 2wks h ALA 121 CO 0.06 0.00 0.37 0.00 0.00 0.00 0.00 179.25 179.68 2wks h GLY 123 N -0.04 1.06 -2.81 0.00 0.00 -1.63 -3.47 103.07 96.18 2wks h GLY 123 Ca -0.45 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.40 2wks h GLY 123 CO 0.62 0.45 0.15 -0.32 0.00 0.00 0.00 176.54 177.45 2wks s GLY 124 N -3.43 -0.43 -0.01 4.60 0.00 -1.26 -5.10 107.32 101.71 2wks s GLY 124 Ca -0.11 0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.82 2wks s GLY 124 CO 0.80 0.01 -0.00 0.14 0.00 0.00 0.00 173.10 174.04 2wks s VAL 125 N -3.80 0.07 -0.10 1.40 1.01 -1.26 -1.63 120.40 116.09 2wks s VAL 125 Ca 0.04 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2wks s VAL 125 Cb -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.28 2wks s VAL 125 CO -0.08 0.05 -0.14 -0.63 0.00 0.00 0.00 175.10 174.30 2wks s ILE 126 N 0.26 1.37 0.01 2.22 1.01 0.44 -4.99 121.20 121.52 2wks s ILE 126 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.07 2wks s ILE 126 Cb -0.04 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 2wks s ILE 126 CO -0.01 0.42 -0.02 0.00 0.00 0.00 0.00 174.94 175.33 2wks s MET 127 N 1.02 0.18 0.00 2.79 0.23 -1.26 -0.03 119.30 122.22 2wks s MET 127 Ca -0.07 -0.23 0.00 0.00 -1.03 0.00 0.00 55.69 54.36 2wks s MET 127 Cb -0.15 -0.05 0.00 0.00 -1.53 0.00 0.00 34.83 33.10 2wks s MET 127 CO -0.01 0.01 0.00 0.41 -2.03 0.00 0.00 175.02 173.39 2wks n GLY 128 N 2.57 0.76 0.84 3.16 0.00 -0.58 -4.72 105.19 107.22 2wks n GLY 128 Ca -0.16 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.59 2wks n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wks n PHE 129 N -2.41 0.80 -4.15 1.61 3.01 -0.94 -4.67 117.46 110.71 2wks n PHE 129 Ca 0.00 -0.71 0.00 0.00 1.01 0.00 0.00 57.45 57.75 2wks n PHE 129 Cb 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 2wks n PHE 129 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wks n GLY 130 N -0.01 0.95 0.33 1.37 0.00 -0.64 -2.94 105.19 104.24 2wks n GLY 130 Ca 0.18 -0.69 0.15 0.00 0.00 0.00 0.00 46.02 45.66 2wks n GLY 130 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wks h PRO 131 N 0.00 0.00 -0.57 1.61 0.11 -1.92 -1.45 132.00 129.78 2wks h PRO 131 Ca 0.00 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.24 2wks h PRO 131 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2wks h PRO 131 CO 0.00 0.00 0.39 1.25 -0.21 0.00 0.00 178.00 179.43 2wks h LEU 132 N 0.00 0.17 -1.43 2.35 5.85 -1.96 -1.17 115.31 119.13 2wks h LEU 132 Ca 0.11 0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.03 2wks h LEU 132 Cb 0.50 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 2wks h LEU 132 CO -0.00 0.10 0.60 1.23 -0.34 0.00 0.00 178.44 180.02 2wks h GLY 133 N 0.19 1.02 1.06 3.75 0.00 -1.31 -1.65 103.07 106.12 2wks h GLY 133 Ca 0.27 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 2wks h GLY 133 CO -0.05 -0.00 -0.01 -0.97 0.00 0.00 0.00 176.54 175.52 2wks h TYR 134 N 0.48 1.11 -0.56 5.60 -1.99 -1.41 -0.80 116.97 119.40 2wks h TYR 134 Ca 0.48 -0.19 -0.08 0.00 2.00 0.00 0.00 58.73 60.93 2wks h TYR 134 Cb 1.09 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 39.51 2wks h TYR 134 CO -0.00 1.00 0.02 -0.91 -0.00 0.00 0.00 178.16 178.27 2wks h ASN 135 N 0.91 0.92 -0.68 3.88 2.35 -1.44 0.08 115.58 121.59 2wks h ASN 135 Ca 0.16 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2wks h ASN 135 Cb 0.56 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 2wks h ASN 135 CO 0.03 0.96 0.41 0.24 -1.65 0.00 0.00 177.43 177.42 2wks h MET 136 N 0.88 0.94 -0.27 0.81 2.86 -1.07 0.24 114.93 119.33 2wks h MET 136 Ca 0.17 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2wks h MET 136 Cb 0.48 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2wks h MET 136 CO 0.02 0.67 0.04 0.00 1.06 0.00 0.00 176.91 178.70 2wks h ALA 137 N 1.49 0.35 -0.02 6.32 0.00 -0.03 -1.56 119.26 125.81 2wks h ALA 137 Ca 0.25 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2wks h ALA 137 Cb -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2wks h ALA 137 CO -0.05 0.04 -0.26 -0.07 0.00 0.00 0.00 179.25 178.92 2wks h LEU 138 N 0.25 -0.76 -0.48 0.00 3.38 -0.29 0.32 115.31 117.74 2wks h LEU 138 Ca 0.08 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.25 2wks h LEU 138 Cb 0.34 0.32 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 2wks h LEU 138 CO 0.01 -0.32 -0.14 -0.03 0.09 0.00 0.00 178.44 178.05 2wks h MET 139 N -0.38 -0.02 -0.54 1.13 4.05 -0.34 -0.80 114.93 118.02 2wks h MET 139 Ca 0.07 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.42 2wks h MET 139 Cb 0.48 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 2wks h MET 139 CO -0.24 -0.01 0.05 0.00 0.23 0.00 0.00 176.91 176.94 2wks h ALA 140 N 1.43 0.72 -0.06 0.39 0.00 -0.58 -1.61 119.26 119.56 2wks h ALA 140 Ca 0.23 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2wks h ALA 140 Cb 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2wks h ALA 140 CO -0.51 0.49 -0.05 1.98 0.00 0.00 0.00 179.25 181.16 2wks h MET 141 N 0.80 -0.06 -0.82 0.00 -1.53 0.47 0.24 114.93 114.03 2wks h MET 141 Ca 0.16 0.00 0.08 0.00 -3.44 0.00 0.00 59.70 56.51 2wks h MET 141 Cb 0.46 0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 31.45 2wks h MET 141 CO 0.02 -0.04 0.48 0.28 0.14 0.00 0.00 176.91 177.78 2wks h VAL 142 N -0.07 0.94 -0.22 -5.77 2.07 -0.92 0.10 116.25 112.39 2wks h VAL 142 Ca 0.04 -0.28 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 2wks h VAL 142 Cb 0.13 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 2wks h VAL 142 CO -0.10 0.15 -0.45 0.78 0.02 0.00 0.00 177.57 177.97 2wks h ASN 143 N 0.83 0.58 -0.30 0.57 2.35 -0.59 0.16 115.58 119.17 2wks h ASN 143 Ca 0.39 -0.27 -0.17 0.00 -0.55 0.00 0.00 56.30 55.69 2wks h ASN 143 Cb 0.31 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 2wks h ASN 143 CO -0.23 0.95 -0.49 0.40 -1.65 0.00 0.00 177.43 176.42 2wks h ILE 144 N 0.44 1.28 -0.04 2.81 2.04 0.16 -1.56 117.51 122.63 2wks h ILE 144 Ca 0.03 -1.67 -0.01 0.00 1.00 0.00 0.00 64.86 64.21 2wks h ILE 144 Cb 0.96 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 2wks h ILE 144 CO 0.09 0.55 -0.02 -0.07 0.00 0.00 0.00 178.15 178.69 2wks h LEU 145 N 0.65 0.09 -0.82 1.44 3.38 -0.74 -1.35 115.31 117.96 2wks h LEU 145 Ca 0.03 -0.41 0.19 0.00 0.09 0.00 0.00 57.88 57.78 2wks h LEU 145 Cb 1.09 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 2wks h LEU 145 CO 0.11 0.48 -0.02 0.00 0.09 0.00 0.00 178.44 179.10 2wks h ALA 146 N 0.61 0.83 0.00 1.53 0.00 -0.94 -1.45 119.26 119.85 2wks h ALA 146 Ca 0.01 0.27 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 2wks h ALA 146 Cb 0.44 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2wks h ALA 146 CO 0.01 -0.45 -0.67 1.49 0.00 0.00 0.00 179.25 179.63 2wks h GLU 147 N 0.07 0.00 -0.46 0.00 4.81 -1.09 -0.27 114.58 117.63 2wks h GLU 147 Ca 0.45 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.55 2wks h GLU 147 Cb 0.81 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2wks h GLU 147 CO -0.75 0.67 -0.22 0.52 -0.73 0.00 0.00 179.01 178.51 2wks h MET 148 N 0.00 0.97 0.00 1.92 2.86 -0.25 -3.02 114.93 117.41 2wks h MET 148 Ca -0.01 -0.42 -0.20 0.00 -2.06 0.00 0.00 59.70 57.02 2wks h MET 148 Cb 1.27 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.87 2wks h MET 148 CO 0.09 1.09 -1.11 0.87 1.06 0.00 0.00 176.91 178.91 2wks h LYS 149 N 0.81 0.00 0.01 1.72 1.57 -1.27 -3.03 116.57 116.39 2wks h LYS 149 Ca 0.10 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2wks h LYS 149 Cb 0.80 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 2wks h LYS 149 CO 0.07 0.65 -0.12 0.00 -0.57 0.00 0.00 179.45 179.47 2wks h ALA 150 N 1.19 -0.15 -0.85 3.86 0.00 -1.09 -3.01 119.26 119.22 2wks h ALA 150 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wks h ALA 150 Cb 1.70 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.66 2wks h ALA 150 CO 0.09 -0.62 0.51 0.35 0.00 0.00 0.00 179.25 179.58 2wks h PHE 151 N -0.21 1.11 -0.85 0.00 -0.00 -1.58 -2.79 116.94 112.61 2wks h PHE 151 Ca 0.04 0.00 0.09 0.00 -0.00 0.00 0.00 57.97 58.10 2wks h PHE 151 Cb 0.27 -0.37 -0.12 0.00 -0.00 0.00 0.00 35.95 35.74 2wks h PHE 151 CO -0.18 0.73 -0.55 0.37 -0.00 0.00 0.00 178.31 178.68 2wks h GLN 152 N 1.17 -0.09 0.00 1.11 4.15 -1.39 -3.52 115.11 116.53 2wks h GLN 152 Ca 0.30 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.73 2wks h GLN 152 Cb -0.06 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.65 2wks h GLN 152 CO -0.06 -0.06 0.00 0.39 -1.93 0.00 0.00 178.83 177.17